8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline

C12H7F3N2O — CID 142393365

IUPAC8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline
SMILESFC(F)(F)Oc1ccc2ccc3ccnc3c2[nH]1
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)18-9-4-3-7-1-2-8-5-6-16-10(8)11(7)17-9/h1-6,17H
InChIKeyVDDOLVZSOQUWPT-UHFFFAOYSA-N
MW252.20 g/mol
LogP3.61
Rot. Bonds1

About 8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline

8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline (PubChem CID 142393365) has the molecular formula C12H7F3N2O and a molecular weight of 252.20 g/mol. Its IUPAC name is 8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline.

Molecular Properties

Compound Name8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline
PubChem CID142393365
Molecular FormulaC12H7F3N2O
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline
SMILESFC(F)(F)Oc1ccc2ccc3ccnc3c2[nH]1
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)18-9-4-3-7-1-2-8-5-6-16-10(8)11(7)17-9/h1-6,17H
InChIKeyVDDOLVZSOQUWPT-UHFFFAOYSA-N
XLogP3.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline?
The IUPAC name of 8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline (CID 142393365) is 8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline.
What is the SMILES notation for 8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline?
The canonical SMILES for 8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline is FC(F)(F)Oc1ccc2ccc3ccnc3c2[nH]1.
What is the InChIKey of 8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline?
The InChIKey is VDDOLVZSOQUWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O/c13-12(14,15)18-9-4-3-7-1-2-8-5-6-16-10(8)11(7)17-9/h1-6,17H.
What are the key properties of 8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline?
8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline has a molecular weight of 252.20 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethoxy)-9H-pyrrolo[3,2-h]quinoline is sourced from PubChem (CID 142393365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).